AC1Npl22

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  • Identifiers

    CAS number
    5304-71-2

    Molecular formula
    C29H31N3O2

    SMILES
    CC1=CC2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=CC=C(C=C6)OC

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Animal 39.32%
    Sweet 35.83%
    Floral 30.92%
    Earthy 23.87%
    Odorless 23.37%
    Nutty 23.19%
    Honey 22.77%
    Roasted 21.98%
    Aromatic 20.77%
    Powdery 20.75%

     

    Flavor
    Bitter 86.44%
    Animal 21.89%
    Cedarleaf 20.84%
    Very strong 20.35%
    Cereal 20.3%
    Indole 19.93%
    Alkaline 19.62%
    Moth ball 19.26%
    Nitrile 19.22%
    Sweet-like 19.09%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.53 (neutral)

    Molecular weight
    453.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    849°C

    Flash point

    • 259.49 ˚C est.

  • Synonyms

    • AC1NPL22
    • DTXSID50409847
    • RefChem:314078
    • DTXCID80360699
    • 5304-71-2
    • 1'-benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
    • STK993455
    • AKOS005658069
    • 1-benzyl-2'-(4-methoxyphenyl)-9'-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
    • 1'-benzyl-2-(4-methoxyphenyl)-9-methyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
    • 1-Benzyl-2'-(4-methoxyphenyl)-9'-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
    • 5304-71-2

  • Applications

    AC1Npl22 (CAS 5304-71-2) is viewed as an organic synthesis intermediate and may function as a solvent or processing additive in industrial manufacturing; it can be used as a stabilizer, a chelating agent, and a processing aid in formulations for coatings, inks, and cleaning solutions; in addition, it is evaluated as a component for polymer processing and electronics manufacturing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.39
    methanol 4.42
    isopropanol 2.01
    water 0.02
    ethyl acetate 20.31
    n-propanol 4.16
    acetone 13.42
    n-butanol 5.51
    acetonitrile 6.95
    DMF 21.12
    toluene 26.35
    isobutanol 3.55
    1,4-dioxane 25.45
    methyl acetate 17.65
    THF 38.36
    2-butanone 22.42
    n-pentanol 5.91
    sec-butanol 2.34
    n-hexane 0.23
    ethylene glycol 1.52
    NMP 28.34
    cyclohexane 0.56
    DMSO 15.61
    n-butyl acetate 22.06
    n-octanol 3.76
    chloroform 268.77
    n-propyl acetate 19.11
    acetic acid 24.72
    dichloromethane 216.76
    cyclohexanone 49.11
    propylene glycol 1.32
    isopropyl acetate 14.97
    DMAc 52.71
    2-ethoxyethanol 19.37
    isopentanol 6.22
    n-heptane 0.39
    ethyl formate 22.17
    1,2-dichloroethane 67.98
    n-hexanol 6.09
    2-methoxyethanol 16.93
    isobutyl acetate 16.52
    tetrachloromethane 14.38
    n-pentyl acetate 19.41
    transcutol 58.04
    n-heptanol 5.28
    ethylbenzene 7.27
    MIBK 14.85
    2-propoxyethanol 29.99
    tert-butanol 1.95
    MTBE 3.72
    2-butoxyethanol 22.32
    propionic acid 11.33
    o-xylene 8.74
    formic acid 11.43
    diethyl ether 6.87
    m-xylene 11.12
    p-xylene 9.44
    chlorobenzene 58.0
    dimethyl carbonate 19.58
    n-octane 0.21
    formamide 12.25
    cyclopentanone 43.53
    2-pentanone 20.4
    anisole 18.15
    cyclopentyl methyl ether 15.95
    gamma-butyrolactone 51.06
    1-methoxy-2-propanol 12.36
    pyridine 63.17
    3-pentanone 19.93
    furfural 82.06
    n-dodecane 0.3
    diethylene glycol 18.81
    diisopropyl ether 2.15
    tert-amyl alcohol 2.34
    acetylacetone 29.26
    n-hexadecane 0.37
    acetophenone 27.63
    methyl propionate 21.43
    isopentyl acetate 22.66
    trichloroethylene 230.93
    n-nonanol 5.12
    cyclohexanol 6.99
    benzyl alcohol 22.22
    2-ethylhexanol 6.23
    isooctanol 5.39
    dipropyl ether 7.13
    1,2-dichlorobenzene 51.3
    ethyl lactate 14.21
    propylene carbonate 35.19
    n-methylformamide 14.07
    2-pentanol 2.94
    n-pentane 0.27
    1-propoxy-2-propanol 17.34
    1-methoxy-2-propyl acetate 34.08
    2-(2-methoxypropoxy) propanol 24.89
    mesitylene 4.33
    ε-caprolactone 46.73
    p-cymene 5.33
    epichlorohydrin 96.24
    1,1,1-trichloroethane 48.96
    2-aminoethanol 2.97
    morpholine-4-carbaldehyde 48.43
    sulfolane 46.97
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 16.7
    n-hexyl acetate 17.8
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 28.59
    sec-butyl acetate 13.89
    tert-butyl acetate 12.12
    decalin 0.57
    glycerin 4.72
    diglyme 57.23
    acrylic acid 16.27
    isopropyl myristate 8.08
    n-butyric acid 22.98
    acetyl acetate 21.62
    di(2-ethylhexyl) phthalate 14.09
    ethyl propionate 17.64
    nitromethane 38.81
    1,2-diethoxyethane 19.93
    benzonitrile 34.71
    trioctyl phosphate 8.13
    1-bromopropane 23.17
    gamma-valerolactone 94.29
    n-decanol 3.71
    triethyl phosphate 14.34
    4-methyl-2-pentanol 3.26
    propionitrile 11.83
    vinylene carbonate 60.15
    1,1,2-trichlorotrifluoroethane 85.88
    DMS 23.3
    cumene 4.63
    2-octanol 2.83
    2-hexanone 18.57
    octyl acetate 10.75
    limonene 5.21
    1,2-dimethoxyethane 31.31
    ethyl orthosilicate 13.17
    tributyl phosphate 11.1
    diacetone alcohol 13.11
    N,N-dimethylaniline 9.93
    acrylonitrile 20.0
    aniline 26.52
    1,3-propanediol 6.33
    bromobenzene 64.72
    dibromomethane 102.47
    1,1,2,2-tetrachloroethane 133.58
    2-methyl-cyclohexyl acetate 18.91
    tetrabutyl urea 13.2
    diisobutyl methanol 3.41
    2-phenylethanol 23.24
    styrene 10.4
    dioctyl adipate 16.44
    dimethyl sulfate 25.88
    ethyl butyrate 19.29
    methyl lactate 14.37
    butyl lactate 17.06
    diethyl carbonate 16.02
    propanediol butyl ether 10.95
    triethyl orthoformate 18.08
    p-tert-butyltoluene 4.19
    methyl 4-tert-butylbenzoate 23.12
    morpholine 26.05
    tert-butylamine 1.07
    n-dodecanol 2.81
    dimethoxymethane 23.67
    ethylene carbonate 43.74
    cyrene 27.41
    2-ethoxyethyl acetate 37.08
    2-ethylhexyl acetate 19.55
    1,2,4-trichlorobenzene 58.89
    4-methylpyridine 53.91
    dibutyl ether 6.28
    2,6-dimethyl-4-heptanol 3.41
    DEF 24.13
    dimethyl isosorbide 43.87
    tetrachloroethylene 85.49
    eugenol 27.04
    triacetin 28.87
    span 80 16.06
    1,4-butanediol 3.55
    1,1-dichloroethane 49.26
    2-methyl-1-pentanol 7.32
    methyl formate 16.22
    2-methyl-1-butanol 5.25
    n-decane 0.52
    butyronitrile 12.88
    3,7-dimethyl-1-octanol 5.23
    1-chlorooctane 3.09
    1-chlorotetradecane 1.42
    n-nonane 0.36
    undecane 0.38
    tert-butylcyclohexane 0.4
    cyclooctane 0.29
    cyclopentanol 5.32
    tetrahydropyran 18.32
    tert-amyl methyl ether 4.38
    2,5,8-trioxanonane 40.11
    1-hexene 1.65
    2-isopropoxyethanol 14.68
    2,2,2-trifluoroethanol 14.39
    methyl butyrate 22.75

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction